N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide

C12H13IN2O2S2 — CID 121122948

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide
SMILESCc1nc(C)c(CNS(=O)(=O)c2ccc(I)cc2)s1
InChIInChI=1S/C12H13IN2O2S2/c1-8-12(18-9(2)15-8)7-14-19(16,17)11-5-3-10(13)4-6-11/h3-6,14H,7H2,1-2H3
InChIKeyQWVOLOPOWPAIBY-UHFFFAOYSA-N
MW408.29 g/mol
LogP2.84
Rot. Bonds4

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide (PubChem CID 121122948) has the molecular formula C12H13IN2O2S2 and a molecular weight of 408.29 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide
PubChem CID121122948
Molecular FormulaC12H13IN2O2S2
Molecular Weight408.29 g/mol
Exact Mass407.95
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide
SMILESCc1nc(C)c(CNS(=O)(=O)c2ccc(I)cc2)s1
InChIInChI=1S/C12H13IN2O2S2/c1-8-12(18-9(2)15-8)7-14-19(16,17)11-5-3-10(13)4-6-11/h3-6,14H,7H2,1-2H3
InChIKeyQWVOLOPOWPAIBY-UHFFFAOYSA-N
XLogP2.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methylbenzenesulfonamide
CID 121122925
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-ethylbenzenesulfonamide
CID 121122937
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide
CID 121121722
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylquinoline-8-sulfonamide
CID 121122988
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-ethoxybenzenesulfonamide
CID 121122995
4-bromo-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121916
4-iodo-N-[2-[(4-iodophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820100
3,4-dichloro-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110395152
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79100787
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 121123854
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-4-propylbenzenesulfonamide
CID 121121976
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 121123355

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide (CID 121122948) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide is Cc1nc(C)c(CNS(=O)(=O)c2ccc(I)cc2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide?
The InChIKey is QWVOLOPOWPAIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O2S2/c1-8-12(18-9(2)15-8)7-14-19(16,17)11-5-3-10(13)4-6-11/h3-6,14H,7H2,1-2H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide has a molecular weight of 408.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-iodobenzenesulfonamide is sourced from PubChem (CID 121122948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).